5-butoxyimino-N,N-dipropyl-2,3,4,6,7,8-hexahydro-1H-naphthalen-2-amine

C20H36N2O — CID 85398429

IUPAC5-butoxyimino-N,N-dipropyl-2,3,4,6,7,8-hexahydro-1H-naphthalen-2-amine
SMILESCCCCON=C1CCCC2=C1CCC(N(CCC)CCC)C2
InChIInChI=1S/C20H36N2O/c1-4-7-15-23-21-20-10-8-9-17-16-18(11-12-19(17)20)22(13-5-2)14-6-3/h18H,4-16H2,1-3H3
InChIKeyRUTZPSMGMJGJHC-UHFFFAOYSA-N
MW320.52 g/mol
LogP5.31
Rot. Bonds9

About 5-butoxyimino-N,N-dipropyl-2,3,4,6,7,8-hexahydro-1H-naphthalen-2-amine

5-butoxyimino-N,N-dipropyl-2,3,4,6,7,8-hexahydro-1H-naphthalen-2-amine (PubChem CID 85398429) has the molecular formula C20H36N2O and a molecular weight of 320.52 g/mol. Its IUPAC name is 5-butoxyimino-N,N-dipropyl-2,3,4,6,7,8-hexahydro-1H-naphthalen-2-amine.

Molecular Properties

Compound Name5-butoxyimino-N,N-dipropyl-2,3,4,6,7,8-hexahydro-1H-naphthalen-2-amine
PubChem CID85398429
Molecular FormulaC20H36N2O
Molecular Weight320.52 g/mol
Exact Mass320.28
IUPAC Name5-butoxyimino-N,N-dipropyl-2,3,4,6,7,8-hexahydro-1H-naphthalen-2-amine
SMILESCCCCON=C1CCCC2=C1CCC(N(CCC)CCC)C2
InChIInChI=1S/C20H36N2O/c1-4-7-15-23-21-20-10-8-9-17-16-18(11-12-19(17)20)22(13-5-2)14-6-3/h18H,4-16H2,1-3H3
InChIKeyRUTZPSMGMJGJHC-UHFFFAOYSA-N
XLogP5.31
TPSA24.83 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500320.52
LogP ≤ 55.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

(5E)-5-phenylmethoxyimino-N,N-dipropyl-2,3,4,6,7,8-hexahydro-1H-naphthalen-2-amine
CID 10948221
5-hydrazinylidene-N,N-dipropyl-2,3,4,6,7,8-hexahydro-1H-naphthalen-2-amine
CID 149158732
N-[6-(dipropylamino)-3,4,5,6,7,8-hexahydro-2H-naphthalen-1-ylidene]hydroxylamine
CID 86206502
(NE)-N-[6-(dibutylamino)-3,4,5,6,7,8-hexahydro-2H-naphthalen-1-ylidene]hydroxylamine
CID 21258574
[(E)-[6-(dipropylamino)-3,4,5,6,7,8-hexahydro-2H-naphthalen-1-ylidene]amino] benzoate
CID 10872302
(Z)-but-2-enedioic acid;6-[butyl(propyl)amino]-3,4,5,6,7,8-hexahydro-2H-naphthalen-1-one
CID 70114751
(5E)-5-methoxyimino-2,3,4,6,7,8-hexahydro-1H-naphthalen-2-amine
CID 21258616
but-2-enedioic acid;5-(dimethylhydrazinylidene)-N,N-diethyl-2,3,4,6,7,8-hexahydro-1H-naphthalen-2-amine
CID 70095007
6-[propyl(2-thiophen-2-ylethyl)amino]-3,4,5,6,7,8-hexahydro-2H-naphthalen-1-one
CID 10947071
(6S)-6-[2-butoxyethyl(propyl)amino]-5,6,7,8-tetrahydronaphthalene-1,2-diol
CID 15228242
3-(dibutylamino)cyclopentan-1-one
CID 79644207
4-N-(2-butoxyethyl)-4-N-propylcyclohexane-1,4-diamine
CID 79112173

Frequently Asked Questions

What is the IUPAC name of 5-butoxyimino-N,N-dipropyl-2,3,4,6,7,8-hexahydro-1H-naphthalen-2-amine?
The IUPAC name of 5-butoxyimino-N,N-dipropyl-2,3,4,6,7,8-hexahydro-1H-naphthalen-2-amine (CID 85398429) is 5-butoxyimino-N,N-dipropyl-2,3,4,6,7,8-hexahydro-1H-naphthalen-2-amine.
What is the SMILES notation for 5-butoxyimino-N,N-dipropyl-2,3,4,6,7,8-hexahydro-1H-naphthalen-2-amine?
The canonical SMILES for 5-butoxyimino-N,N-dipropyl-2,3,4,6,7,8-hexahydro-1H-naphthalen-2-amine is CCCCON=C1CCCC2=C1CCC(N(CCC)CCC)C2.
What is the InChIKey of 5-butoxyimino-N,N-dipropyl-2,3,4,6,7,8-hexahydro-1H-naphthalen-2-amine?
The InChIKey is RUTZPSMGMJGJHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H36N2O/c1-4-7-15-23-21-20-10-8-9-17-16-18(11-12-19(17)20)22(13-5-2)14-6-3/h18H,4-16H2,1-3H3.
What are the key properties of 5-butoxyimino-N,N-dipropyl-2,3,4,6,7,8-hexahydro-1H-naphthalen-2-amine?
5-butoxyimino-N,N-dipropyl-2,3,4,6,7,8-hexahydro-1H-naphthalen-2-amine has a molecular weight of 320.52 g/mol, XLogP of 5.31, 9 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-butoxyimino-N,N-dipropyl-2,3,4,6,7,8-hexahydro-1H-naphthalen-2-amine is sourced from PubChem (CID 85398429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).